4-[[2-(diethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid

C12H17N3O3 — CID 113406283

IUPAC4-[[2-(diethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
SMILESCCN(CC)C(=O)CNc1ccnc(C(=O)O)c1
InChIInChI=1S/C12H17N3O3/c1-3-15(4-2)11(16)8-14-9-5-6-13-10(7-9)12(17)18/h5-7H,3-4,8H2,1-2H3,(H,13,14)(H,17,18)
InChIKeyNJLJUHZUWKPQNN-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.06
Rot. Bonds6

About 4-[[2-(diethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid

4-[[2-(diethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid (PubChem CID 113406283) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-[[2-(diethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(diethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
PubChem CID113406283
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-[[2-(diethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
SMILESCCN(CC)C(=O)CNc1ccnc(C(=O)O)c1
InChIInChI=1S/C12H17N3O3/c1-3-15(4-2)11(16)8-14-9-5-6-13-10(7-9)12(17)18/h5-7H,3-4,8H2,1-2H3,(H,13,14)(H,17,18)
InChIKeyNJLJUHZUWKPQNN-UHFFFAOYSA-N
XLogP1.06
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 43143056
4-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridine-2-carboxamide
CID 60926875
4-[2-[ethyl(propyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114132784
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
2-anilino-N,N-diethylacetamide;hydrochloride
CID 119671427
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide
CID 79386430
4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-2-carboxylic acid
CID 102906568
4-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid
CID 43143006
N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide
CID 43517418
N,N-diethyl-4-(2-methylbutylamino)pyridine-2-carboxamide
CID 62693747
2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid
CID 65226330
2-(3-chloroanilino)-N,N-diethylacetamide
CID 28580548

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(diethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[2-(diethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid (CID 113406283) is 4-[[2-(diethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[2-(diethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[2-(diethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid is CCN(CC)C(=O)CNc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[[2-(diethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid?
The InChIKey is NJLJUHZUWKPQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-15(4-2)11(16)8-14-9-5-6-13-10(7-9)12(17)18/h5-7H,3-4,8H2,1-2H3,(H,13,14)(H,17,18).
What are the key properties of 4-[[2-(diethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid?
4-[[2-(diethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(diethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 113406283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).